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D-Allylglycine, N-propoxycarbonyl-, heptadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

D-Allylglycine, N-propoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID Dt6eJzMEF44
InChI InChI=1S/C26H49NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)24(21-5-2)27-26(29)31-22-6-3/h5,24H,2,4,6-23H2,1,3H3,(H,27,29)
InChIKey FLZPTSSKJIPQAO-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2YbCYVB2WR
Name D-Allylglycine, N-propoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(28)24(21-5-2)27-26(29)31-22-6-3/h5,24H,2,4,6-23H2,1,3H3,(H,27,29)
InChIKey FLZPTSSKJIPQAO-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C(CCCCCCCOC(C(NC(OCCC)=O)CC=C)=O)CCCCCCCCC